4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine

C8H6BrFN2 — CID 177261833

IUPAC4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(F)c2c(Br)ccnc21
InChIInChI=1S/C8H6BrFN2/c1-12-4-6(10)7-5(9)2-3-11-8(7)12/h2-4H,1H3
InChIKeyDQUJJDRPVOWFRV-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.47
Rot. Bonds

About 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine

4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 177261833) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine
PubChem CID177261833
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(F)c2c(Br)ccnc21
InChIInChI=1S/C8H6BrFN2/c1-12-4-6(10)7-5(9)2-3-11-8(7)12/h2-4H,1H3
InChIKeyDQUJJDRPVOWFRV-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine (CID 177261833) is 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine is Cn1cc(F)c2c(Br)ccnc21.
What is the InChIKey of 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is DQUJJDRPVOWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-12-4-6(10)7-5(9)2-3-11-8(7)12/h2-4H,1H3.
What are the key properties of 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine?
4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 229.05 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 177261833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).